2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid

C15H13ClFNO4S — CID 10338417

IUPAC2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H13ClFNO4S/c1-2-9-3-5-13(11(7-9)15(19)20)18-23(21,22)14-6-4-10(17)8-12(14)16/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyIHARCKGAKXWNNC-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.54
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid

2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid (PubChem CID 10338417) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid
PubChem CID10338417
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Name2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H13ClFNO4S/c1-2-9-3-5-13(11(7-9)15(19)20)18-23(21,22)14-6-4-10(17)8-12(14)16/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyIHARCKGAKXWNNC-UHFFFAOYSA-N
XLogP3.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
2-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-5-methylbenzene-1,3-dicarboxylic acid
CID 175257784
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057875
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3875086
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620
6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643790
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid (CID 10338417) is 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid?
The InChIKey is IHARCKGAKXWNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c1-2-9-3-5-13(11(7-9)15(19)20)18-23(21,22)14-6-4-10(17)8-12(14)16/h3-8,18H,2H2,1H3,(H,19,20).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid?
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid has a molecular weight of 357.79 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid is sourced from PubChem (CID 10338417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).